Electronegativity and average local ionization energy

被引：19

作者：

Politzer, P ^{[1
]}

Murray, JS ^{[1
]}

Grice, ME ^{[1
]}

机构：

[1] Univ New Orleans, Dept Chem, New Orleans, LA 70148 USA

来源：

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS | 2005年 / 70卷 / 05期

关键词：

electron affinity; ionization potential; valence electrons; configuration energy; atomic surfaces; electronegativity;

D O I：

10.1135/cccc20050550

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A variation of an earlier formulation of electronegativity by Allen, as the average valence electron ionization energy of a ground-state atom, is proposed. It is shown that the calculated average local ionization energies on the 0.001 a.u. electronic density contours of atoms correlate very well with Allen's values. Our procedure makes it unnecessary to enumerate valence electrons, which can be a problem due to interpenetration of shells.

引用

页码：550 / 558

页数：9

共 50 条

[21] Effects of Electronegativity and Hydration Energy on the Selective Adsorption of Heavy Metal Ions by Synthetic NaX Zeolite [J].

Fan, Xianyuan ;

Liu, Hong ;

Anang, Emmanuella ;

Ren, Dajun .

MATERIALS, 2021, 14 (15)

[22] Is the size of an atom determined by its ionization energy? [J].

Bohorquez, Hugo J. ;

Boyd, Russell J. .

CHEMICAL PHYSICS LETTERS, 2009, 480 (1-3) :127-131

[23] Influence of ionization energy on charge-transfer ionization in matrix-assisted laser desorption/ionization mass spectrometry [J].

Macha, SF ;

McCarley, TD ;

Limbach, PA .

ANALYTICA CHIMICA ACTA, 1999, 397 (1-3) :235-245

[24] High-Throughput Screening of High-Performance Thermoelectric Materials with Gibbs Free Energy and Electronegativity [J].

Xu, Guiying ;

Xin, Jiakai ;

Deng, Hao ;

Shi, Ran ;

Zhang, Guangbing ;

Zou, Ping .

MATERIALS, 2023, 16 (15)

[25] Efficient moisture energy harvesting through electronegativity enhancement and dual-gradient asymmetric structural design [J].

Jing, Mingxing ;

Fu, Yiyang ;

Yang, Yu ;

Zhu, Hongyuan ;

Wang, Wensheng ;

Wu, Han ;

Sun, Zhuangzhi .

Journal of Environmental Chemical Engineering, 2025, 13 (04)

[26] Formula for average energy required to produce a secondary electron in an insulator [J].

谢爱根 ;

詹煜 ;

高志勇 ;

吴红艳 .

Chinese Physics B, 2013, (05) :544-546

[27] Formula for average energy required to produce a secondary electron in an insulator [J].

Xie Ai-Gen ;

Zhan Yu ;

Gao Zhi-Yong ;

Wu Hong-Yan .

CHINESE PHYSICS B, 2013, 22 (05)

[28] Molecular electronegativity in density functional theory .4. Direct calculations of charges distribution and total energy in a macrocyclic molecule [J].

Wang, LH ;

Shen, EZ ;

Yang, ZZ .

CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 1996, 17 (05) :781-785

[29] Average electronic energy is the central quantity in conceptual chemical reactivity theory [J].

Franco-Perez, Marco ;

Ayers, Paul W. ;

Gazquez, Jose L. .

THEORETICAL CHEMISTRY ACCOUNTS, 2016, 135 (08)

[30] Linear correlation between electronegativity and adsorption energy of hydrated metal ions by carboxyl-functionalized single-walled carbon nanotubes [J].

Chien-Lin Lee ;

Hsing-Cheng Hsi ;

Chia Ming Chang .

Journal of Nanoparticle Research, 2023, 25

← 1 2 3 4 5 →